Isatin based thiosemicarbazone derivatives as potential bioactive agents: Anti-oxidant and molecular docking studies

Haribabu, Jebiti; Subhashree, G.; Sivaraj, Saranya; Gomathi, K.; Karvembu, Ramasamy; Gayathri, D.

doi:10.1016/j.molstruc.2016.01.044

Cited by 56 publications

(20 citation statements)

References 24 publications

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“…The S(1)–C(7B), N(3)–N(4), N(3)–C(6), N(2)–C(1) and N(1)–C(1) bond lengths of ligand ANMTSC are 1.683, 1.384, 1.277, 1.360 and 1.341 Å, respectively. Bond lengths and angles were in the allowed range and comparable with similar compounds . Selected bond lengths and angles are listed in Table .…”

Section: Resultsmentioning

confidence: 64%

Synthesis, Structural, Biological Evaluation, Molecular Docking and DFT Studies of Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II) Complexes bearing Heterocyclic Thiosemicarbazone ligand

Konakanchi

Haribabu

Prashanth

et al. 2018

Applied Organom Chemis

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A new ligand, 2‐aminonicotinaldehyde N‐methyl thiosemicarbazone (ANMTSC) and its metal complexes [Co(II) (1); Ni(II) (2); Cu(II) (3); Zn(II) (4); Cd(II) (5) or Hg(II) (6)] were synthesized. The compounds were characterized by analytical methods and various spectroscopic (infrared, magnetic, thermal, 1H, 13C NMR, electronic and ESR) tools. The structure of ANMTSC ligand was confirmed by single crystal X‐ray diffraction study. The spectral data of metal complexes indicate that the ligand acts as mononegative, bidentate coordination through imine nitrogen (N) and thiocarbonyl sulphur (S−) atoms. The proposed geometries for complexes were octahedral (1–2), distorted octahedral (3) and tetrahedral (4–6). Computational details of theoretical calculations (DFT) of complexes have been discussed. The compounds were subjected to antimicrobial, antioxidant, antidiabetic, anticancer, ROS, studies and EGFR targeting molecular docking analysis. Complex 5 has shown excellent antibacterial activity and the complexes 2 and 5 have shown good antifungal activity. The complexes 1 and 4 displayed good antioxidant property with IC50 values of 11.17 ± 1.92 μM and 10.79 ± 1.85 μM, respectively compared to standard. In addition, in vitro anticancer activity of the compounds was investigated against HeLa, MCF‐7, A549, IMR‐32 and HEK 293 cell lines. Among all the compounds, complex 4 was more effective against HeLa (IC50 = 10.28 ± 0.69 μM), MCF‐7 (IC50 = 9.80 ± 0.83 μM), A549 (IC50 = 11.08 ± 0.57 μM) and IMR‐32 (10.41 ± 0.60 μM) exhibited superior anticancer activity [IC50 = 9.80 ± 0.83 (4) and 9.91 ± 0.37 μM (1)] against MCF‐7 compared with other complexes.

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Section: Resultsmentioning

confidence: 64%

Synthesis, Structural, Biological Evaluation, Molecular Docking and DFT Studies of Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II) Complexes bearing Heterocyclic Thiosemicarbazone ligand

Konakanchi

Haribabu

Prashanth

et al. 2018

Applied Organom Chemis

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“…[18][19][20] Moreover, a number of substituted isatin-3-thiosemicarbazones are structurally characterized. [21][22][23][24][25][26][27][28][29][30][31] Isatin-3thiosemicarbazones are good O, N, S-donors and form complexes with metals. [32][33][34][35][36][37][38][39][40][41][42] They show variable bonding modes like,  1 -S, terminal (A) 36 , N 3 , S-chelation (B) 37 , N 3 , S, O-chelation (C) 37 , N 3 , S, O-chelation-cum-O-bridging (D) 38 (Chart 2).…”

Section: Introductionmentioning

confidence: 99%

Synthesis, structure and cytotoxicity evaluation of complexes of N1-substituted-isatin-3-thiosemicarbazone with copper(I) halides

Khan

Jasinski

Smoleaski

et al. 2016

Inorganica Chimica Acta

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Synthesis of Isatin-N 1-methyl-thiosemicarbazone (H 2 itsc-N 1-Me, H 2 L 1) and isatin-N 1-ethylthiosemicarbazone (H 2 itsc-N 1-Et, H 2 L 2) has been carried out and the effect of substituents (at N 1 atom of isatin-3-thiosemicarbazones) on nuclearity of copper(I) halide complexes has been investigated. Reactions of copper(I) halides (X = I, Br, Cl) with H 2 L 1 and H 2 L 2 using Ph 3 P as coligand in 1 : 1 : 1 (M : L : PPh 3) molar ratio in acetonitrile yielded complexes of stiochiometry [CuX(H 2 L 1)(Ph 3 P)] (X = I, C1; Br, C2; Cl, C3) and [CuX(H 2 L 2)(Ph 3 P)] (X = I, C4; Br, C5; Cl, C6) respectively. All these complexes have been characterized using analytical and spectroscopic data (IR, 1 H NMR and ESI mass). The single crystal structure has been solved for H 2 L 1 and C2. The complex C2 has distorted tetrahedral geometry around copper(I) and isatin

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“…In silico molecular docking studies of isatin‐thiosemicarbazone hybrids 45 against human non‐pancreatic secretory PLA2 and DprE1 were performed to screen their anti‐TB activities . All hybrids showed very promising docking score, glide energy, hydrogen bonds, and hydrophobic interactions at the active site.…”

Section: Isatin‐(thio)hydrazone Hybridsmentioning

confidence: 99%

Isatin Derivatives with Potential Antitubercular Activities

Jiang

Wang

Liu

et al. 2018

Journal of Heterocyclic Chem

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Tuberculosis is a life‐threatening chronic infectious disease, which primarily affects the lungs but can spread to other vital organs. The re‐emergence and wide spread of new virulent forms of Mycobacterium tuberculosis that are resistant to some or all first and second line antitubercular agents has reached an alarming level in recent decades. Thus, it is imperative to develop more effective agents. Isatin derivatives are endowed with diverse biological properties, therefore thousands of isatin derivatives have been synthesized in hopes of discovering new candidates with potential antitubercular activities against both drug‐susceptible and drug‐resistant strains. This review summarizes the recent developments of isatin derivatives with potential antitubercular activities.

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Isatin based thiosemicarbazone derivatives as potential bioactive agents: Anti-oxidant and molecular docking studies

Cited by 56 publications

References 24 publications

Synthesis, Structural, Biological Evaluation, Molecular Docking and DFT Studies of Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II) Complexes bearing Heterocyclic Thiosemicarbazone ligand

Synthesis, Structural, Biological Evaluation, Molecular Docking and DFT Studies of Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II) Complexes bearing Heterocyclic Thiosemicarbazone ligand

Synthesis, structure and cytotoxicity evaluation of complexes of N1-substituted-isatin-3-thiosemicarbazone with copper(I) halides

Isatin Derivatives with Potential Antitubercular Activities

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